Flavone base + 4O, O-HexA-HexA
| Internal ID | d7b9c701-2085-40c2-b91a-fa904544a187 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides > Flavonoid-7-O-glucuronides |
| IUPAC Name | 6-[6-carboxy-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| SMILES (Canonical) | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C27H26O18/c28-9-2-1-7(3-10(9)29)13-6-12(31)15-11(30)4-8(5-14(15)42-13)41-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-30,32-36H,(H,37,38)(H,39,40) |
| InChI Key | PBBVWJQPAZYQDB-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H26O18 |
| Molecular Weight | 638.50 g/mol |
| Exact Mass | 638.11191398 g/mol |
| Topological Polar Surface Area (TPSA) | 300.00 Ų |
| XlogP | -0.60 |
| Flavone base + 4O, O-HexA-HexA |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.80% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.48% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.64% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 96.24% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.60% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.27% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.00% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.47% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.76% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.48% | 90.71% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.31% | 83.57% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.86% | 97.36% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.82% | 95.78% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.80% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.79% | 94.73% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.48% | 83.00% |
| CHEMBL4531 | P17931 | Galectin-3 | 84.19% | 96.90% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.82% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.39% | 99.23% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.20% | 91.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.09% | 95.89% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.89% | 81.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.59% | 85.14% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.44% | 96.00% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 80.30% | 89.23% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Aloysia citrodora |
| Medicago truncatula |
| Perilla frutescens |
| Plectranthus scutellarioides |
| Secale cereale |
| PubChem | 74413803 |
| LOTUS | LTS0148966 |
| wikiData | Q105205044 |